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V. Shiralkar

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#artificial intelligence Preprint Sep 2026

TopU-LBVS: A Realistic Multi Target Benchmark for Ligand Based Virtual Screening

TopU-LBVS is introduced, a multi-target benchmark for LBVS under hard-negative screening conditions, and fixed splits, evaluation code, and baseline implementations are released for reproducible comparison of future LBVS and molecular representation learning methods.

Surbhi Kumar, Yu-He Zhou, V. Shiralkar et al. · 0 citations

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